Inogatran
TL;DR: Inogatran (CAS 155415-08-0) is a chemical compound with molecular formula C21H38N6O4 and molecular weight 438.29544 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[(2R)-3-cyclohexyl-1-[(2S)-2-[3-(diaminomethylideneamino)propylcarbamoyl]piperidin-1-yl]-1-oxopropan-2-yl]amino]acetic acid
Also Known As: Inogatran, Inogatran [INN], inogatranum, INOGATRAN (ASTRA-ZENECA), 1k21
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C21H38N6O4 |
| Molecular Weight | 438.29544 g/mol |
| XLogP | -1.2 |
| Topological Polar Surface Area (TPSA) | 163.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 438.29544 Da |
| Heavy Atoms | 31 |
| Complexity | 631.0 |
| SMILES | C1CCC(CC1)C[C@H](C(=O)N2CCCC[C@H]2C(=O)NCCCN=C(N)N)NCC(=O)O |
| InChIKey | CDPROXZBMHOBTQ-SJORKVTESA-N |
Chemical Property Profile of Inogatran
Property Insights of Inogatran
The XLogP value of -1.2 indicates that Inogatran is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 163.0 Ų indicates high polarity, suggesting Inogatran may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Inogatran has 5 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Inogatran?
The CAS number of Inogatran is 155415-08-0.
What is the molecular formula of Inogatran?
The molecular formula of Inogatran is C21H38N6O4.
What is the molecular weight of Inogatran?
The molecular weight of Inogatran is 438.29544 g/mol.
Where can I buy Inogatran?
You can request a quote for Inogatran directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Inogatran?
Yes, CoreyChem provides custom synthesis services for Inogatran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.